1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene

C103H108 — CID 161447273

IUPAC1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2c(C)cccc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H18.3C15H16.3C14H14/c1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4;1-11-4-7-14(8-5-11)15-9-6-12(2)10-13(15)3;1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-11-7-9-14(10-8-11)15-12(2)5-4-6-13(15)3;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h5-10H,1-4H3;3*4-10H,1-3H3;3*3-10H,1-2H3
InChIKeyWABDNYNUZDSVTC-UHFFFAOYSA-N
MW1346.00 g/mol
LogP29.34
Rot. Bonds7

About 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene

1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene (PubChem CID 161447273) has the molecular formula C103H108 and a molecular weight of 1346.00 g/mol. Its IUPAC name is 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
PubChem CID161447273
Molecular FormulaC103H108
Molecular Weight1346.00 g/mol
Exact Mass1344.85
IUPAC Name1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2c(C)cccc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H18.3C15H16.3C14H14/c1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4;1-11-4-7-14(8-5-11)15-9-6-12(2)10-13(15)3;1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-11-7-9-14(10-8-11)15-12(2)5-4-6-13(15)3;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h5-10H,1-4H3;3*4-10H,1-3H3;3*3-10H,1-2H3
InChIKeyWABDNYNUZDSVTC-UHFFFAOYSA-N
XLogP29.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001346.00
LogP ≤ 529.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene with MolForge

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Related Compounds

1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene
CID 161146851
ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
CID 163847388
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
1-methyl-2,3-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-(2-phenylphenyl)benzene;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 162010466
1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-2-phenyl-4-(4-phenylphenyl)benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 159186914
2-methyl-1,3-diphenylbenzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 165013304

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The IUPAC name of 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene (CID 161447273) is 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The canonical SMILES for 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene is Cc1ccc(-c2c(C)cc(C)cc2C)cc1.Cc1ccc(-c2c(C)cccc2C)cc1.Cc1ccc(-c2cc(C)cc(C)c2)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2ccc(C)cc2C)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1.
What is the InChIKey of 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
The InChIKey is WABDNYNUZDSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.3C15H16.3C14H14/c1-11-5-7-15(8-6-11)16-13(3)9-12(2)10-14(16)4;1-11-4-7-14(8-5-11)15-9-6-12(2)10-13(15)3;1-11-4-6-14(7-5-11)15-9-12(2)8-13(3)10-15;1-11-7-9-14(10-8-11)15-12(2)5-4-6-13(15)3;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2/h5-10H,1-4H3;3*4-10H,1-3H3;3*3-10H,1-2H3.
What are the key properties of 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene?
1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene has a molecular weight of 1346.00 g/mol, XLogP of 29.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2,4-dimethyl-1-(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,3,5-trimethyl-2-(4-methylphenyl)benzene is sourced from PubChem (CID 161447273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).